(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol

C16H14BrF3O — CID 114330011

IUPAC(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(O)c2ccccc2C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C16H14BrF3O/c1-9-7-11(8-10(2)14(9)17)15(21)12-5-3-4-6-13(12)16(18,19)20/h3-8,15,21H,1-2H3
InChIKeyIVKFGWPPNDFOQW-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.17
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol

(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 114330011) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID114330011
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(O)c2ccccc2C(F)(F)F)cc(C)c1Br
InChIInChI=1S/C16H14BrF3O/c1-9-7-11(8-10(2)14(9)17)15(21)12-5-3-4-6-13(12)16(18,19)20/h3-8,15,21H,1-2H3
InChIKeyIVKFGWPPNDFOQW-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.19
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796099
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
5-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296857
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 114330011) is (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol is Cc1cc(C(O)c2ccccc2C(F)(F)F)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is IVKFGWPPNDFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c1-9-7-11(8-10(2)14(9)17)15(21)12-5-3-4-6-13(12)16(18,19)20/h3-8,15,21H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol?
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 359.19 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 114330011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).